[CP2K-user] [CP2K:13545] TDDFPT excitation analysis problem

[Sun Peng]

Hi, Mohammad.
Can we directly use cp2k software to calculate the basic and excited
states, then  obtaining Absorption spectroscopy without the help of NWCHEM?
Can you deliver some helpful manuals to do this?Thank you!

On Wed, 24 Jun 2020 at 20:21, Mohammad Shakiba <
mshakiba.... at gmail.com> wrote:

> Hello everyone,
>
> I ran TDDFPT calculations for (CdSe)33 QDs. The problem is that the
> excited state energy for two considered excited states are the same in
> excitation analysis and also their excitation coefficient amplitudes are
> the same. Is it correct or an error?
>
> Thanks in advance.
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/ae5776d5-fd47-4d59-ad76-8e6d64df6acfo%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/ae5776d5-fd47-4d59-ad76-8e6d64df6acfo%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>


-- 
*祝您天天开心如意！*
*孙鹏 博士*
*+86 15913131189*
*暨南大学 物理学系*
*广东省广州市天河区黄埔大道西601号  510632*

*Your sincerely*
*Peng Sun, Ph.D.*
*DEPT OF PHYSICS, JINAN UNIVERSITY, CHINA*
*ADD: 601 HUANGPU AVE W, GUANGZHOU 510632, CHINA*
*PHONE:  +86-15913131189   *
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200729/23868c3c/attachment.htm>